N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H16N4O2S — CID 94814113

IUPACN-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H16N4O2S/c1-12(19-17(23)15-6-3-9-24-15)16(22)20-13-4-2-5-14(10-13)21-8-7-18-11-21/h2-12H,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyWPRPTYVIEHKEOK-LBPRGKRZSA-N
MW340.41 g/mol
LogP2.69
Rot. Bonds5

About N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 94814113) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID94814113
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H16N4O2S/c1-12(19-17(23)15-6-3-9-24-15)16(22)20-13-4-2-5-14(10-13)21-8-7-18-11-21/h2-12H,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyWPRPTYVIEHKEOK-LBPRGKRZSA-N
XLogP2.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 46468453
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94797229
2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55497525
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 94814113) is N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is WPRPTYVIEHKEOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12(19-17(23)15-6-3-9-24-15)16(22)20-13-4-2-5-14(10-13)21-8-7-18-11-21/h2-12H,1H3,(H,19,23)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 94814113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).